2-[6-[(3-aminocyclohexyl)amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(1-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide

C31H37FN4O4 — CID 122460098

IUPAC2-[6-[(3-aminocyclohexyl)amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(1-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC(C1CC1)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)OC2(CCc3cc(NC4CCCC(N)C4)ccc32)C1=O
InChIInChI=1S/C31H37FN4O4/c1-19(21-7-8-21)35(17-20-5-9-23(32)10-6-20)28(37)18-36-29(38)31(40-30(36)39)14-13-22-15-26(11-12-27(22)31)34-25-4-2-3-24(33)16-25/h5-6,9-12,15,19,21,24-25,34H,2-4,7-8,13-14,16-18,33H2,1H3
InChIKeyCVZVOKOCYAZMKV-UHFFFAOYSA-N
MW548.66 g/mol
LogP4.46
Rot. Bonds8

About 2-[6-[(3-aminocyclohexyl)amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(1-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide

2-[6-[(3-aminocyclohexyl)amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(1-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 122460098) has the molecular formula C31H37FN4O4 and a molecular weight of 548.66 g/mol. Its IUPAC name is 2-[6-[(3-aminocyclohexyl)amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(1-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[6-[(3-aminocyclohexyl)amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(1-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID122460098
Molecular FormulaC31H37FN4O4
Molecular Weight548.66 g/mol
Exact Mass548.28
IUPAC Name2-[6-[(3-aminocyclohexyl)amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(1-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC(C1CC1)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)OC2(CCc3cc(NC4CCCC(N)C4)ccc32)C1=O
InChIInChI=1S/C31H37FN4O4/c1-19(21-7-8-21)35(17-20-5-9-23(32)10-6-20)28(37)18-36-29(38)31(40-30(36)39)14-13-22-15-26(11-12-27(22)31)34-25-4-2-3-24(33)16-25/h5-6,9-12,15,19,21,24-25,34H,2-4,7-8,13-14,16-18,33H2,1H3
InChIKeyCVZVOKOCYAZMKV-UHFFFAOYSA-N
XLogP4.46
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.66
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[6-[(3-aminocyclohexyl)amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(1-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide with MolForge

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Related Compounds

tert-butyl N-[3-[[3-[2-[[(1S)-1-cyclopropylethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]cyclohexyl]carbamate
CID 118958713
(2R)-2-amino-N-[3-[2-[[(1S)-1-cyclopropylethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]propanamide
CID 118958233
(2R)-2-amino-2-cyclopropyl-N-[3-[2-[[(1S)-1-cyclopropylethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]acetamide
CID 118958317
2-[(3R)-6-amino-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1R)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 118957280
2-[(3R)-6-amino-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(1-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 134327492
N-(1-cyclopropylethyl)-2-[2',4'-dioxo-6-(piperidin-3-ylamino)spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 135206076
2-(6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-(1-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 118957683
2-cyano-N-[3-[2-[1-cyclopropylethyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]acetamide
CID 134327296
N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-[(1,1-dioxothian-4-yl)amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide
CID 118958458
N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(methanesulfonamido)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide
CID 118958780
2-amino-2-cyclopropyl-N-[3-[2-[(4-fluorophenyl)methyl-(1,1,1-trifluoropropan-2-yl)amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]acetamide
CID 135205892
2-[6-(benzhydrylideneamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1S)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 118957113

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3-aminocyclohexyl)amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(1-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[6-[(3-aminocyclohexyl)amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(1-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide (CID 122460098) is 2-[6-[(3-aminocyclohexyl)amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(1-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[6-[(3-aminocyclohexyl)amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(1-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[6-[(3-aminocyclohexyl)amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(1-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide is CC(C1CC1)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)OC2(CCc3cc(NC4CCCC(N)C4)ccc32)C1=O.
What is the InChIKey of 2-[6-[(3-aminocyclohexyl)amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(1-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is CVZVOKOCYAZMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37FN4O4/c1-19(21-7-8-21)35(17-20-5-9-23(32)10-6-20)28(37)18-36-29(38)31(40-30(36)39)14-13-22-15-26(11-12-27(22)31)34-25-4-2-3-24(33)16-25/h5-6,9-12,15,19,21,24-25,34H,2-4,7-8,13-14,16-18,33H2,1H3.
What are the key properties of 2-[6-[(3-aminocyclohexyl)amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(1-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide?
2-[6-[(3-aminocyclohexyl)amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(1-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 548.66 g/mol, XLogP of 4.46, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3-aminocyclohexyl)amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(1-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 122460098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).